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Synthesis, crystal structure and Hirshfeld analysis of a crystalline compound comprising a 1/1 mixture of 1-[(1R,4S)- and 1-[(1S,4R)-1,7,7-trimethyl-2-oxobi-cyclo[2.2.1]heptan-3-yl-idene]hydrazinecarbo-thio-amide.

ABSTRACT: The equimolar reaction between a racemic mixture of (R)- and (S)-camphorquinone with thio-semicarbazide yielded the title compound, C11H17N3OS [common name: (R)- and (S)-camphor thio-semicarbazone], which maintains the chirality of the methyl-ated chiral carbon atoms and crystallizes in the centrosymmetric space group C2/c. There are two mol-ecules in general positions in the asymmetric unit, one of them being the (1R)-camphor thio-semicarbazone isomer and the second the (1S)- isomer. In the crystal, the mol-ecular units are linked by C-H?S, N-H?O and N-H?S inter-actions, building a tape-like structure parallel to the (01) plane, generating R 2 1(7) and R 2 2(8) graph-set motifs for the H?S inter-actions. The Hirshfeld surface analysis indicates that the major contributions for crystal cohesion are from H?H (55.00%), H?S (22.00%), H?N (8.90%) and H?O (8.40%) inter-actions.

SUBMITTER: Pires FC 

PROVIDER: S-EPMC6944080 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature

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Synthesis, crystal structure and Hirshfeld analysis of a crystalline compound comprising a 1/1 mixture of 1-[(1<i>R</i>,4<i>S</i>)- and 1-[(1<i>S</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobi-cyclo[2.2.1]heptan-3-yl-idene]hydrazinecarbo-thio-amide.

Pires Fabrício Carvalho FC   Bresolin Leandro L   Gervini Vanessa Carratu VC   Tirloni Bárbara B   Bof de Oliveira Adriano A  

Acta crystallographica. Section E, Crystallographic communications 20200101 Pt 1

The equimolar reaction between a racemic mixture of (<i>R</i>)- and (<i>S</i>)-camphorquinone with thio-semicarbazide yielded the title compound, C<sub>11</sub>H<sub>17</sub>N<sub>3</sub>OS [common name: (<i>R</i>)- and (<i>S</i>)-camphor thio-semicarbazone], which maintains the chirality of the methyl-ated chiral carbon atoms and crystallizes in the centrosymmetric space group <i>C</i>2/<i>c</i>. There are two mol-ecules in general positions in the asymmetric unit, one of them being the (1<i>R<  ...[more]

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